instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_3000>. | Cc1csc(-c2cc(C(=O)O)no2)c1 | |
What is the building block token for the following molecule? | Cc1csc(-c2cc(C(=O)O)no2)c1 | <BB_3000> |
What is the molecular formula for <BB_3000>? | The molecular formula for <BB_3000> (Cc1csc(-c2cc(C(=O)O)no2)c1) is C9H7NO3S. | |
Describe the ring structures in building block <BB_3000>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3000>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_3000>. | **Token:** <BB_3000>
**SMILES:** Cc1csc(-c2cc(C(=O)O)no2)c1
**Molecular Formula:** C9H7NO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_3001>. | CC(C)CC[C@@H](N)C(=O)O.Cl | |
What is the building block token for the following molecule? | CC(C)CC[C@@H](N)C(=O)O.Cl | <BB_3001> |
What is the molecular formula for <BB_3001>? | The molecular formula for <BB_3001> (CC(C)CC[C@@H](N)C(=O)O.Cl) is C7H16ClNO2. | |
Describe the ring structures in building block <BB_3001>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_3001>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3001>. | **Token:** <BB_3001>
**SMILES:** CC(C)CC[C@@H](N)C(=O)O.Cl
**Molecular Formula:** C7H16ClNO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3002>. | CS(=N)(=O)c1ccncc1 | |
What is the building block token for the following molecule? | CS(=N)(=O)c1ccncc1 | <BB_3002> |
What is the molecular formula for <BB_3002>? | The molecular formula for <BB_3002> (CS(=N)(=O)c1ccncc1) is C6H8N2OS. | |
Describe the ring structures in building block <BB_3002>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3002>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_3002>. | **Token:** <BB_3002>
**SMILES:** CS(=N)(=O)c1ccncc1
**Molecular Formula:** C6H8N2OS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_3003>. | O=c1[nH][nH]c(=O)n1CCO | |
What is the building block token for the following molecule? | O=c1[nH][nH]c(=O)n1CCO | <BB_3003> |
What is the molecular formula for <BB_3003>? | The molecular formula for <BB_3003> (O=c1[nH][nH]c(=O)n1CCO) is C4H7N3O3. | |
Describe the ring structures in building block <BB_3003>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3003>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_3003>. | **Token:** <BB_3003>
**SMILES:** O=c1[nH][nH]c(=O)n1CCO
**Molecular Formula:** C4H7N3O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_3004>. | Cc1nc(N=C=S)ccc1Br | |
What is the building block token for the following molecule? | Cc1nc(N=C=S)ccc1Br | <BB_3004> |
What is the molecular formula for <BB_3004>? | The molecular formula for <BB_3004> (Cc1nc(N=C=S)ccc1Br) is C7H5BrN2S. | |
Describe the ring structures in building block <BB_3004>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3004>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3004>. | **Token:** <BB_3004>
**SMILES:** Cc1nc(N=C=S)ccc1Br
**Molecular Formula:** C7H5BrN2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3005>. | CC(C)(CN)c1cccc(Br)c1 | |
What is the building block token for the following molecule? | CC(C)(CN)c1cccc(Br)c1 | <BB_3005> |
What is the molecular formula for <BB_3005>? | The molecular formula for <BB_3005> (CC(C)(CN)c1cccc(Br)c1) is C10H14BrN. | |
Describe the ring structures in building block <BB_3005>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3005>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3005>. | **Token:** <BB_3005>
**SMILES:** CC(C)(CN)c1cccc(Br)c1
**Molecular Formula:** C10H14BrN
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3006>. | Cc1cncc(-c2cc(N)no2)c1 | |
What is the building block token for the following molecule? | Cc1cncc(-c2cc(N)no2)c1 | <BB_3006> |
What is the molecular formula for <BB_3006>? | The molecular formula for <BB_3006> (Cc1cncc(-c2cc(N)no2)c1) is C9H9N3O. | |
Describe the ring structures in building block <BB_3006>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3006>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_3006>. | **Token:** <BB_3006>
**SMILES:** Cc1cncc(-c2cc(N)no2)c1
**Molecular Formula:** C9H9N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_3007>. | CC1(C)CNC(=O)C1N | |
What is the building block token for the following molecule? | CC1(C)CNC(=O)C1N | <BB_3007> |
What is the molecular formula for <BB_3007>? | The molecular formula for <BB_3007> (CC1(C)CNC(=O)C1N) is C6H12N2O. | |
Describe the ring structures in building block <BB_3007>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_3007>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_3007>. | **Token:** <BB_3007>
**SMILES:** CC1(C)CNC(=O)C1N
**Molecular Formula:** C6H12N2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_3008>. | CCNc1ccnc(Cl)n1 | |
What is the building block token for the following molecule? | CCNc1ccnc(Cl)n1 | <BB_3008> |
What is the molecular formula for <BB_3008>? | The molecular formula for <BB_3008> (CCNc1ccnc(Cl)n1) is C6H8ClN3. | |
Describe the ring structures in building block <BB_3008>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3008>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3008>. | **Token:** <BB_3008>
**SMILES:** CCNc1ccnc(Cl)n1
**Molecular Formula:** C6H8ClN3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3009>. | Cl.N#CC1(CO)CCNCC1 | |
What is the building block token for the following molecule? | Cl.N#CC1(CO)CCNCC1 | <BB_3009> |
What is the molecular formula for <BB_3009>? | The molecular formula for <BB_3009> (Cl.N#CC1(CO)CCNCC1) is C7H13ClN2O. | |
Describe the ring structures in building block <BB_3009>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_3009>. | The molecule contains the following groups: Secondary Amine, Alcohol, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_3009>. | **Token:** <BB_3009>
**SMILES:** Cl.N#CC1(CO)CCNCC1
**Molecular Formula:** C7H13ClN2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Alcohol, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_3010>. | CC1SCc2c(Cl)nc(Cl)nc21 | |
What is the building block token for the following molecule? | CC1SCc2c(Cl)nc(Cl)nc21 | <BB_3010> |
What is the molecular formula for <BB_3010>? | The molecular formula for <BB_3010> (CC1SCc2c(Cl)nc(Cl)nc21) is C7H6Cl2N2S. | |
Describe the ring structures in building block <BB_3010>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3010>. | The molecule contains the following groups: Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3010>. | **Token:** <BB_3010>
**SMILES:** CC1SCc2c(Cl)nc(Cl)nc21
**Molecular Formula:** C7H6Cl2N2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3011>. | Cl.OC1(Cc2ccc(Cl)cc2)CCNC1 | |
What is the building block token for the following molecule? | Cl.OC1(Cc2ccc(Cl)cc2)CCNC1 | <BB_3011> |
What is the molecular formula for <BB_3011>? | The molecular formula for <BB_3011> (Cl.OC1(Cc2ccc(Cl)cc2)CCNC1) is C11H15Cl2NO. | |
Describe the ring structures in building block <BB_3011>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_3011>. | The molecule contains the following groups: Secondary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3011>. | **Token:** <BB_3011>
**SMILES:** Cl.OC1(Cc2ccc(Cl)cc2)CCNC1
**Molecular Formula:** C11H15Cl2NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3012>. | COC(=O)c1c(O)ccn1Cc1ccccc1 | |
What is the building block token for the following molecule? | COC(=O)c1c(O)ccn1Cc1ccccc1 | <BB_3012> |
What is the molecular formula for <BB_3012>? | The molecular formula for <BB_3012> (COC(=O)c1c(O)ccn1Cc1ccccc1) is C13H13NO3. | |
Describe the ring structures in building block <BB_3012>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3012>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3012>. | **Token:** <BB_3012>
**SMILES:** COC(=O)c1c(O)ccn1Cc1ccccc1
**Molecular Formula:** C13H13NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_3013>. | C=C[C@@H]1CCNC1.Cl | |
What is the building block token for the following molecule? | C=C[C@@H]1CCNC1.Cl | <BB_3013> |
What is the molecular formula for <BB_3013>? | The molecular formula for <BB_3013> (C=C[C@@H]1CCNC1.Cl) is C6H12ClN. | |
Describe the ring structures in building block <BB_3013>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_3013>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3013>. | **Token:** <BB_3013>
**SMILES:** C=C[C@@H]1CCNC1.Cl
**Molecular Formula:** C6H12ClN
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3014>. | Cn1cc(-c2csc(C=O)n2)cn1 | |
What is the building block token for the following molecule? | Cn1cc(-c2csc(C=O)n2)cn1 | <BB_3014> |
What is the molecular formula for <BB_3014>? | The molecular formula for <BB_3014> (Cn1cc(-c2csc(C=O)n2)cn1) is C8H7N3OS. | |
Describe the ring structures in building block <BB_3014>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3014>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_3014>. | **Token:** <BB_3014>
**SMILES:** Cn1cc(-c2csc(C=O)n2)cn1
**Molecular Formula:** C8H7N3OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_3015>. | Nc1nc(Cl)cc(C2CC2)n1 | |
What is the building block token for the following molecule? | Nc1nc(Cl)cc(C2CC2)n1 | <BB_3015> |
What is the molecular formula for <BB_3015>? | The molecular formula for <BB_3015> (Nc1nc(Cl)cc(C2CC2)n1) is C7H8ClN3. | |
Describe the ring structures in building block <BB_3015>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_3015>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3015>. | **Token:** <BB_3015>
**SMILES:** Nc1nc(Cl)cc(C2CC2)n1
**Molecular Formula:** C7H8ClN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3016>. | Cc1nc2c(=O)[nH]nc(-c3ccccc3)c2s1 | |
What is the building block token for the following molecule? | Cc1nc2c(=O)[nH]nc(-c3ccccc3)c2s1 | <BB_3016> |
What is the molecular formula for <BB_3016>? | The molecular formula for <BB_3016> (Cc1nc2c(=O)[nH]nc(-c3ccccc3)c2s1) is C12H9N3OS. | |
Describe the ring structures in building block <BB_3016>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 6. |
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